3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one

C19H25N3O3 — CID 50983362

IUPAC3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1CCC1CCOC1=O
InChIInChI=1S/C19H25N3O3/c1-13(2)12-17-20-18(9-8-14-10-11-25-19(14)23)22(21-17)15-6-4-5-7-16(15)24-3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyINWJVEGDZWJNDB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.97
Rot. Bonds7

About 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one

3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one (PubChem CID 50983362) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
PubChem CID50983362
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
SMILESCOc1ccccc1-n1nc(CC(C)C)nc1CCC1CCOC1=O
InChIInChI=1S/C19H25N3O3/c1-13(2)12-17-20-18(9-8-14-10-11-25-19(14)23)22(21-17)15-6-4-5-7-16(15)24-3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyINWJVEGDZWJNDB-UHFFFAOYSA-N
XLogP2.97
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(oxolan-3-yl)-1,2,4-triazole
CID 50979759
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-[(2R)-2-pyrazol-1-ylpropyl]-1,2,4-triazole
CID 95122009
6-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1H-pyrimidine-2,4-dione
CID 50950566
1-(2-methoxyphenyl)-3-(2-methylpropyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 50961121
3-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 50955479
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445359
(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
5-[2-[(R)-ethylsulfinyl]ethyl]-1-(2-methoxyphenyl)-3-propan-2-yl-1,2,4-triazole
CID 95125175
(3R)-3-[(1S)-1-(2-methoxyphenyl)ethyl]sulfanyloxolan-2-one
CID 96527633
6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one
CID 50951813
1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole
CID 95140379

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one?
The IUPAC name of 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one (CID 50983362) is 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one.
What is the SMILES notation for 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one?
The canonical SMILES for 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one is COc1ccccc1-n1nc(CC(C)C)nc1CCC1CCOC1=O.
What is the InChIKey of 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one?
The InChIKey is INWJVEGDZWJNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)12-17-20-18(9-8-14-10-11-25-19(14)23)22(21-17)15-6-4-5-7-16(15)24-3/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one?
3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one has a molecular weight of 343.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one is sourced from PubChem (CID 50983362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).